DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:20 UTC
Update Date	2025-03-21 18:30:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082196
Frequency	35.2
Structure
Chemical Formula	C₂₈H₄₄N₄O₁₆P₂S
Molecular Mass	786.1948
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChI Key	TYZAEFZQBYWMGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl amines organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	fatty acyl carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate fatty amide monosaccharide pentose-5-phosphate pyrimidone organosulfur compound carboxylic acid derivative pyrimidine carbothioic s-ester saccharide organic oxide organonitrogen compound organopnictogen compound fatty acyl thioester thiolactone organoheterocyclic compound alcohol vinylogous amide thiocarboxylic acid or derivatives carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives organic pyrophosphate oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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